(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-N-[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-N-[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-1-benzyl-3-chloro-2-oxo-propyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-1-benzyl-3-chloro-2-keto-propyl]pyrrolidine-2-carboxamide Formula: C20H28ClN3O3 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)CCl)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)CCl)N

InChI

InChI=1S/C20H28ClN3O3/c1-13(2)18(22)20(27)24-10-6-9-16(24)19(26)23-15(17(25)12-21)11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,18H,6,9-12,22H2,1-2H3,(H,23,26)/t15-,16-,18-/m0/s1